V002-2489 Screening compound: 5-{[1-(2,4-dimethoxyphenyl)-N-(propan-2-yl)formamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate

V002-2489 Screening compound: 5-{[1-(2,4-dimethoxyphenyl)-N-(propan-2-yl)formamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
V002-2489 Screening compound: 5-{[1-(2,4-dimethoxyphenyl)-N-(propan-2-yl)formamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-2489
5-{[1-(2,4-dimethoxyphenyl)-N-(propan-2-yl)formamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

V002-2489

Molecular Formula

C27H28F3NO7S (C27 H28 F3 NO7 S)

Compound Name

5-{[1-(2,4-dimethoxyphenyl)-N-(propan-2-yl)formamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate

IUPAC name

5-{[1-(24-dimethoxyphenyl)-N-(propan-2-yl)formamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate

SMILES

CC(C)N(Cc(cc1)cc(OS(c2cc(C(F)(F)F)ccc2)(=O)=O)c1OC)C(c(ccc(OC)c1)c1OC)=O

InChI

InChI=1S/C27H28F3NO7S/c1-17(2)31(26(32)22-11-10-20(35-3)15-24(22)37-5)16-18-9-12-23(36-4)25(13-18)38-39(33,34)21-8-6-7-19(14-21)27(28,29)30/h6-15,17H,16H2,1-5H3

InChI Key

FCBKLCOMAKDTHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19752217

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

567.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.982

Distribution Coefficient, logD

4.982

Water Solubility, LogSw

-4.75

Polar Surface Area

74.846

Acid Dissociation Constant (pKa)

26.36

Base Dissociation Constant (pKb)

-2.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.63

V002-2489 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V002-2489 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-2489?
Check Price and Availability of V002-2489, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V002-2489 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-2489
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-2489
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of V002-2489 available by request